SCHEMBL29015141

SCHEMBL29015141

CCOC(=O)c1cc2ccccc2cc1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
PGR P06401 1/20 0.55
ALDH1A1 P00352 10/20 0.52
SMN1; SMN2 Q16637 9/20 0.52
RAB9A P51151 7/20 0.52
MAPT P10636 6/20 0.52
HPGD P15428 5/20 0.52
GAA P10253 4/20 0.52
HSD17B10 Q99714 3/20 0.52
ALOX15 P16050 1/20 0.52
KDM4E B2RXH2 6/20 0.51
NPC1 O15118 6/20 0.51
LMNA P02545 3/20 0.51
ATM Q13315 2/20 0.51
MEN1 O00255 1/20 0.51
GLA P06280 1/20 0.51
KMT2A Q03164 1/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
MAPK1 P28482 2/20 0.51
TDP1 Q9NUW8 2/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29865007 0.91 TSHR (0.53) TSHRPGRALDH1A1SMN1; SMN2RAB9A
SCHEMBL29015139 0.91 TSHR (0.53) TSHRPGRALDH1A1SMN1; SMN2RAB9A
SCHEMBL4830396 0.90 TSHR (0.63) TSHRPGRALDH1A1SMN1; SMN2RAB9A
SCHEMBL29015145 0.88 ALDH1A1 (0.54) TSHRALDH1A1SMN1; SMN2RAB9AMAPT
SCHEMBL29865130 0.88 TSHR (0.51) TSHRALDH1A1SMN1; SMN2RAB9AMAPT
SCHEMBL29864992 0.88 ALDH1A1 (0.54) TSHRALDH1A1SMN1; SMN2RAB9AMAPT
SCHEMBL29015146 0.88 TSHR (0.51) TSHRALDH1A1SMN1; SMN2RAB9AMAPT
SCHEMBL14007356 0.88 ALDH1A1 (0.56) TSHRPGRALDH1A1RAB9AMAPT
SCHEMBL29015142 0.86 MAOB (0.47) TSHRPGRALDH1A1SMN1; SMN2RAB9A
SCHEMBL29864809 0.86 MAOB (0.47) TSHRPGRALDH1A1SMN1; SMN2RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115057776-B Synthesis method of ethyl 2-naphthoate derivative 必维申瓯质量技术服务温州有限公司 2023-08-22 CN disclosed
CN-115057776-A Synthesis method of 2-ethyl naphthoate derivative 必维申瓯质量技术服务温州有限公司 2022-09-16 CN disclosed